(1S,2R,6S,7R,10R)-3,7-dimethyl-10-propan-2-yltricyclo[5.3.0.02,6]dec-3-ene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    5208-58-2

    Molecular formula
    C15H24

    SMILES
    CC1=CC[C@H]2[C@@H]1[C@H]3[C@@]2(CC[C@@H]3C(C)C)C

    Retention indicies (RI)

    • Carbowax: 1518.0

  • Odor profile

    Woody 81.51%
    Herbal 59.85%
    Spicy 53.87%
    Green 43.96%
    Fresh 39.02%
    Balsamic 38.83%
    Dry 35.06%
    Oily 34.32%
    Vetiver 33.25%
    Sandalwood 31.43%

    Scent© AI

  • Properties

    XLogP3-AA
    4.5

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point est.
    73.48 ˚C

  • Synonyms

    • 5208-58-2
    • DTXSID601020807

  • Applications

    A chiral sesquiterpene hydrocarbon with a tricyclo[5.3.0.02,6]dec-3-ene (copaane-like) framework, it is used mainly as an analytical reference in GC-MS/chiral-GC for essential-oil profiling and authenticity, as a retention marker in aroma research, as a feedstock for selective transformations (oxidation, hydrogenation, functionalization) to fragrance intermediates, in lab studies of bioactivity and insect behavior (attractant/repellent), as a chemotaxonomic and geochemical marker in plant resins and petroleum, and occasionally at trace levels in fragrance formulations; its hydrophobicity and moderate volatility suit microencapsulation and slow-release studies.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 182.24
    methanol 85.7
    isopropanol 288.98
    water 0.53
    ethyl acetate 513.96
    n-propanol 256.12
    acetone 511.37
    n-butanol 332.74
    acetonitrile 281.84
    DMF 373.25
    toluene 816.24
    isobutanol 268.21
    1,4-dioxane 993.71
    methyl acetate 412.34
    THF 1589.17
    2-butanone 535.8
    n-pentanol 170.97
    sec-butanol 247.74
    n-hexane 130.08
    ethylene glycol 27.31
    NMP 327.17
    cyclohexane 324.93
    DMSO 203.84
    n-butyl acetate 671.17
    n-octanol 267.55
    chloroform 998.42
    n-propyl acetate 302.49
    acetic acid 98.25
    dichloromethane 802.37
    cyclohexanone 786.79
    propylene glycol 56.42
    isopropyl acetate 480.38
    DMAc 335.25
    2-ethoxyethanol 190.64
    isopentanol 334.5
    n-heptane 230.21
    ethyl formate 230.52
    1,2-dichloroethane 535.41
    n-hexanol 454.15
    2-methoxyethanol 278.31
    isobutyl acetate 322.79
    tetrachloromethane 277.8
    n-pentyl acetate 388.73
    transcutol 669.8
    n-heptanol 247.7
    ethylbenzene 381.27
    MIBK 460.64
    2-propoxyethanol 486.1
    tert-butanol 375.1
    MTBE 634.25
    2-butoxyethanol 301.41
    propionic acid 146.03
    o-xylene 452.41
    formic acid 16.46
    diethyl ether 602.02
    m-xylene 578.87
    p-xylene 487.25
    chlorobenzene 551.4
    dimethyl carbonate 195.78
    n-octane 94.98
    formamide 40.22
    cyclopentanone 884.24
    2-pentanone 527.36
    anisole 481.74
    cyclopentyl methyl ether 733.7
    gamma-butyrolactone 718.76
    1-methoxy-2-propanol 334.19
    pyridine 767.79
    3-pentanone 415.34
    furfural 458.03
    n-dodecane 77.13
    diethylene glycol 219.29
    diisopropyl ether 327.98
    tert-amyl alcohol 273.57
    acetylacetone 567.71
    n-hexadecane 90.75
    acetophenone 383.07
    methyl propionate 362.27
    isopentyl acetate 696.69
    trichloroethylene 791.02
    n-nonanol 252.53
    cyclohexanol 378.91
    benzyl alcohol 271.88
    2-ethylhexanol 351.18
    isooctanol 221.59
    dipropyl ether 602.43
    1,2-dichlorobenzene 477.7
    ethyl lactate 136.97
    propylene carbonate 438.79
    n-methylformamide 140.46
    2-pentanol 273.19
    n-pentane 161.74
    1-propoxy-2-propanol 452.07
    1-methoxy-2-propyl acetate 619.02
    2-(2-methoxypropoxy) propanol 335.31
    mesitylene 402.61
    ε-caprolactone 609.49
    p-cymene 384.3
    epichlorohydrin 682.71
    1,1,1-trichloroethane 694.49
    2-aminoethanol 67.03
    morpholine-4-carbaldehyde 471.5
    sulfolane 487.23
    2,2,4-trimethylpentane 92.57
    2-methyltetrahydrofuran 973.5
    n-hexyl acetate 541.56
    isooctane 110.74
    2-(2-butoxyethoxy)ethanol 393.75
    sec-butyl acetate 302.28
    tert-butyl acetate 539.7
    decalin 148.21
    glycerin 69.62
    diglyme 706.85
    acrylic acid 101.68
    isopropyl myristate 303.98
    n-butyric acid 294.13
    acetyl acetate 368.73
    di(2-ethylhexyl) phthalate 221.3
    ethyl propionate 322.81
    nitromethane 220.96
    1,2-diethoxyethane 531.23
    benzonitrile 429.18
    trioctyl phosphate 184.69
    1-bromopropane 539.56
    gamma-valerolactone 797.25
    n-decanol 205.64
    triethyl phosphate 221.74
    4-methyl-2-pentanol 242.03
    propionitrile 368.81
    vinylene carbonate 396.99
    1,1,2-trichlorotrifluoroethane 268.66
    DMS 348.38
    cumene 273.3
    2-octanol 197.16
    2-hexanone 344.97
    octyl acetate 330.23
    limonene 443.97
    1,2-dimethoxyethane 511.15
    ethyl orthosilicate 233.64
    tributyl phosphate 206.49
    diacetone alcohol 368.92
    N,N-dimethylaniline 317.82
    acrylonitrile 320.57
    aniline 440.63
    1,3-propanediol 149.83
    bromobenzene 718.99
    dibromomethane 648.42
    1,1,2,2-tetrachloroethane 632.85
    2-methyl-cyclohexyl acetate 415.72
    tetrabutyl urea 247.34
    diisobutyl methanol 283.89
    2-phenylethanol 420.69
    styrene 399.04
    dioctyl adipate 311.45
    dimethyl sulfate 194.4
    ethyl butyrate 485.67
    methyl lactate 138.68
    butyl lactate 234.06
    diethyl carbonate 310.78
    propanediol butyl ether 226.45
    triethyl orthoformate 367.72
    p-tert-butyltoluene 396.79
    methyl 4-tert-butylbenzoate 397.64
    morpholine 797.02
    tert-butylamine 321.9
    n-dodecanol 170.49
    dimethoxymethane 499.7
    ethylene carbonate 388.62
    cyrene 243.94
    2-ethoxyethyl acetate 443.14
    2-ethylhexyl acetate 596.62
    1,2,4-trichlorobenzene 508.94
    4-methylpyridine 775.54
    dibutyl ether 446.43
    2,6-dimethyl-4-heptanol 283.89
    DEF 372.17
    dimethyl isosorbide 605.56
    tetrachloroethylene 387.22
    eugenol 302.48
    triacetin 391.05
    span 80 298.58
    1,4-butanediol 62.39
    1,1-dichloroethane 604.63
    2-methyl-1-pentanol 188.26
    methyl formate 134.62
    2-methyl-1-butanol 273.68
    n-decane 125.0
    butyronitrile 412.82
    3,7-dimethyl-1-octanol 295.02
    1-chlorooctane 291.71
    1-chlorotetradecane 138.34
    n-nonane 124.07
    undecane 95.28
    tert-butylcyclohexane 136.61
    cyclooctane 175.72
    cyclopentanol 360.99
    tetrahydropyran 1121.39
    tert-amyl methyl ether 387.11
    2,5,8-trioxanonane 489.44
    1-hexene 274.68
    2-isopropoxyethanol 197.84
    2,2,2-trifluoroethanol 56.14
    methyl butyrate 357.17

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Sideritis condensata Sideritis condensata Boiss. et Heldr., fam. Lamiaceae (Labiatae) 0.3%
Origanum husnuca-baserii (Turkey) Origanum husnucan-baserii H. Duman, Z. Aytac et A. Duran, fam. Lamiaceae 0.01%
Carrot umbel (Poland) 8015-88-1 Daucus carota L. ssp. carota, fam. Apiaceae (Umbelliferae) 0.01%
Melia dubia (India) Melia dubia Cav., fam. Meliaceae 0.38%